%chk=000298929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298929

0 1
S -3.570843 0.269713 -1.214032
O -0.368706 -1.498814 1.690318
O 2.520876 3.588359 1.078398
O 3.998221 -2.856999 -1.264130
O 4.537028 3.123192 0.426598
O 5.556868 -1.348839 -1.217545
O -7.188593 -0.542238 -0.176038
O -6.308086 0.469279 -1.885348
N -1.115550 -0.184346 -0.084261
N 3.378569 2.838009 0.652919
N 4.425801 -1.745309 -1.020468
N -3.132764 -0.966986 1.061169
N -6.244973 -0.122885 -0.819000
C 1.255850 -0.274764 0.414041
C 2.159347 -1.195570 -0.131504
C 1.647913 1.041143 0.680248
C 2.960734 1.435180 0.376877
C 3.464034 -0.773236 -0.428389
C -0.121440 -0.746065 0.793205
C 3.885029 0.539043 -0.174923
C -2.485985 -0.361757 0.053128
C -4.918661 -0.328105 -0.301354
C -4.507324 -0.951747 0.862118
H 1.863091 -2.238918 -0.324811
H 0.950515 1.766585 1.126711
H 4.918465 0.857507 -0.403265
H -0.800494 0.378524 -0.884134
H -5.156923 -1.414555 1.611772


%chk=000298929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298929

0 1
S -3.717209 0.763011 -0.995497
O -0.355786 -2.148705 0.453470
O 2.211182 3.646715 0.625746
O 4.405772 -3.045642 -0.637925
O 4.437442 3.222891 0.344135
O 5.932900 -1.352211 -0.512574
O -7.263199 -0.636479 0.241295
O -6.687363 0.997086 -1.272411
N -1.170193 -0.006630 -0.112937
N 3.206660 2.856782 0.406248
N 4.731279 -1.812251 -0.471886
N -3.095161 -1.113369 0.855753
N -6.399313 0.077091 -0.405112
C 1.257241 -0.381067 0.087163
C 2.305595 -1.304917 -0.146462
C 1.558078 0.988089 0.273864
C 2.901686 1.409114 0.203939
C 3.628620 -0.835489 -0.212679
C -0.141508 -0.946706 0.175931
C 3.963225 0.521828 -0.043004
C -2.535837 -0.231433 0.035875
C -5.004885 -0.172752 -0.141328
C -4.477368 -1.092860 0.758642
H 2.084654 -2.370149 -0.263061
H 0.798221 1.738493 0.515274
H 4.999236 0.866915 -0.093641
H -0.892022 0.876839 -0.546880
H -5.079948 -1.758795 1.376362


